(4aS,8R,8aR)-8a-bromanyl-7-ethenyl-8-(3-ethoxy-4-oxidanyl-phenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aS,8R,8aR)-8a-bromanyl-7-ethenyl-8-(3-ethoxy-4-oxidanyl-phenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aS,8R,8aR)-8a-bromo-8-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(3-ethoxy-4-hydroxyphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(3-ethoxy-4-hydroxyphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aS,8R,8aR)-8a-bromo-8-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=CCC3C2(C(=O)C=C(C3=O)C)Br)C=C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C)Br)C=C)O

InChI

InChI=1S/C21H21BrO4/c1-4-13-6-8-15-20(25)12(3)10-18(24)21(15,22)19(13)14-7-9-16(23)17(11-14)26-5-2/h4,6-7,9-11,15,19,23H,1,5,8H2,2-3H3/t15-,19+,21+/m0/s1